SCHEMBL12932310

SCHEMBL12932310

CC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(n2cnc3c(N)nc(N)nc32)C1O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 8/20 0.71
P2RX1 P51575 3/20 0.71
P2RX3 P56373 3/20 0.71
ENPP1 P22413 2/20 0.71
P2RY11 Q96G91 2/20 0.71
P2RX4 Q99571 2/20 0.71
P2RY6 Q15077 1/20 0.71
P2RY12 Q9H244 2/20 0.70
NT5E P21589 1/20 0.68
RNASEL Q05823 3/20 0.67
IMPDH2 P12268 1/20 0.64
IMPDH1 P20839 1/20 0.64
GPR17 Q13304 2/20 0.63
P2RX2 Q9UBL9 2/20 0.63
P2RY2 P41231 2/20 0.62
SRC P12931 1/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25844542 0.94 P2RY1 (0.70) P2RY1P2RX1P2RX3ENPP1P2RY11
SCHEMBL20059054 0.94 P2RY1 (0.65) P2RY1P2RX1P2RX3ENPP1P2RY11
SCHEMBL17211052 0.93 P2RY1 (0.79) P2RY1P2RX1P2RX3ENPP1P2RY11
SCHEMBL29471291 0.93 P2RY1 (0.79) P2RY1P2RX1P2RX3ENPP1P2RY11
SCHEMBL12932283 0.93 P2RY1 (0.79) P2RY1P2RX1P2RX3ENPP1P2RY11
SCHEMBL18269547 0.93 P2RY1 (0.79) P2RY1P2RX1P2RX3ENPP1P2RY11
SCHEMBL625828 0.93 P2RY1 (0.79) P2RY1P2RX1P2RX3ENPP1P2RY11
SCHEMBL3502237 0.93 P2RY1 (0.79) P2RY1P2RX1P2RX3ENPP1P2RY11
SCHEMBL13857854 0.93 P2RY1 (0.79) P2RY1P2RX1P2RX3ENPP1P2RY11
SCHEMBL12944454 0.90 P2RY1 (0.71) P2RY1P2RX1P2RX3ENPP1P2RY11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275672-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES, INC. (US) 2017-09-28 US disclosed
US-9631227-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2017-04-25 US disclosed
US-20140323354-A1 Chemically Modified Ligase Cofactors, Donors and Acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2014-10-30 US disclosed
US-8728725-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES (US) 2014-05-20 US disclosed
US-20110008788-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TriLink Bio Technologies 2011-01-13 US disclosed